Publications | Lund University Publications

1 – 10 of 19

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/publication?embed=1&q=keywords+exact+%22models%2C+chemical%22&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

« previous
1
2
next »

2018
Mark The evolution of multiple active site configurations in a designed enzyme
Hong, Nan-Sook ; Petrović, Dušan ; Lee, Richmond ; Gryn'ova, Ganna ; Purg, Miha ; Saunders, Jake ; Bauer, Paul ; Carr, Paul D ; Lin, Ching-Yeh and Mabbitt, Peter D , et al. (2018) In Nature Communications 9(1).
- Contribution to journal › Article
2016
Mark Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase
Purg, Miha ; Pabis, Anna ; Baier, Florian ; Tokuriki, Nobuhiko ; Jackson, Colin and Kamerlin, Shina Caroline Lynn ^LU (2016) In Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Science 374(2080).
- Contribution to journal › Article
2015
Mark Development and Application of a Nonbonded Cu²⁺ Model That Includes the Jahn-Teller Effect
Liao, Qinghua ; Kamerlin, Shina Caroline Lynn ^LU and Strodel, Birgit (2015) In The Journal of Physical Chemistry Letters 6(13). p.62-2657
- Contribution to journal › Article
Mark How valence bond theory can help you understand your (bio)chemical reaction
Shurki, Avital ; Derat, Etienne ; Barrozo, Alexandre and Kamerlin, Shina Caroline Lynn ^LU (2015) In Chemical Society Reviews 44(5). p.52-1037
- Contribution to journal › Scientific review
2014
Mark Continuous flow atomic force microscopy imaging reveals fluidity and time-dependent interactions of antimicrobial dendrimer with model lipid membranes
Lind, Tania Kjellerup ^LU ; Zielińska, Paulina ; Wacklin, Hanna Pauliina ^LU ; Urbańczyk-Lipkowska, Zofia and Cárdenas, Marité ^LU (2014) In ACS Nano 8(1). p.396-408
- Contribution to journal › Article
Mark Force field independent metal parameters using a nonbonded dummy model
Duarte, Fernanda ; Bauer, Paul ; Barrozo, Alexandre ; Amrein, Beat Anton ; Purg, Miha ; Åqvist, Johan and Kamerlin, Shina Caroline Lynn ^LU (2014) In The Journal of Physical Chemistry Part B 118(16). p.62-4351
- Contribution to journal › Article
2011
Mark Coarse-grained (multiscale) simulations in studies of biophysical and chemical systems
Kamerlin, Shina C L ^LU ; Vicatos, Spyridon ; Dryga, Anatoly and Warshel, Arieh (2011) In Annual Review of Physical Chemistry 62. p.41-64
- Contribution to journal › Scientific review
2010
Mark Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issues
Kamerlin, Shina Caroline Lynn ^LU ; Mavri, Janez and Warshel, A (2010) In FEBS Letters 584(13). p.66-2759
- Contribution to journal › Scientific review
Mark On catalytic preorganization in oxyanion holes : highlighting the problems with the gas-phase modeling of oxyanion holes and illustrating the need for complete enzyme models
Kamerlin, Shina C L ^LU ; Chu, Zhen T and Warshel, A (2010) In The Journal of Organic Chemistry 75(19). p.401-6391
- Contribution to journal › Article
2009
Mark On unjustifiably misrepresenting the EVB approach while simultaneously adopting it
Kamerlin, Shina C L ^LU ; Cao, Jie ; Rosta, Edina and Warshel, Arieh (2009) In The Journal of Physical Chemistry Part B 113(31). p.15-10905
- Contribution to journal › Article

« previous
1
2
next »

your query:: Remove keywords: models, chemical